2-cyclohexylsulfanylfuran

C10H14OS — CID 86196798

IUPAC2-cyclohexylsulfanylfuran
SMILESc1coc(SC2CCCCC2)c1
InChIInChI=1S/C10H14OS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h4,7-9H,1-3,5-6H2
InChIKeyLVYJOIASYJDARY-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.70
Rot. Bonds2

About 2-cyclohexylsulfanylfuran

2-cyclohexylsulfanylfuran (PubChem CID 86196798) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-cyclohexylsulfanylfuran.

Molecular Properties

Compound Name2-cyclohexylsulfanylfuran
PubChem CID86196798
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-cyclohexylsulfanylfuran
SMILESc1coc(SC2CCCCC2)c1
InChIInChI=1S/C10H14OS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h4,7-9H,1-3,5-6H2
InChIKeyLVYJOIASYJDARY-UHFFFAOYSA-N
XLogP3.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylfuran?
The IUPAC name of 2-cyclohexylsulfanylfuran (CID 86196798) is 2-cyclohexylsulfanylfuran.
What is the SMILES notation for 2-cyclohexylsulfanylfuran?
The canonical SMILES for 2-cyclohexylsulfanylfuran is c1coc(SC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexylsulfanylfuran?
The InChIKey is LVYJOIASYJDARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-cyclohexylsulfanylfuran?
2-cyclohexylsulfanylfuran has a molecular weight of 182.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylfuran is sourced from PubChem (CID 86196798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).